| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(Nc1cc(ccc1NC(=O)C)C(=O)O)C(CC)CC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCC(CC)C(=O)Nc1cc(ccc1NC(C)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | CCC(CC)C(=O)Nc1cc(ccc1NC(C)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCC(CC)C(=O)Nc1cc(ccc1NC(=O)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC(CC)C(=O)Nc1cc(ccc1NC(=O)C)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H20N2O4/c1-4-10(5-2)14(19)17-13-8-11(15(20)21)6-7-12(13)16-9(3)18/h6-8,10H,4-5H2,1-3H3,(H,16,18)(H,17,19)(H,20,21) |
| InChIKey | InChI | 1.03 | USKXJFHTBQWXCS-UHFFFAOYSA-N |
